3-(4-methoxyphenyl)sulfonyl-1-(phenylmethyl)piperidine-3-carboxylic acid

Systemtic Name: 3-(4-methoxyphenyl)sulfonyl-1-(phenylmethyl)piperidine-3-carboxylic acid Openeye Name: 1-benzyl-3-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxylic acid CAS Name: 3-(4-methoxyphenyl)sulfonyl-1-(phenylmethyl)-3-piperidinecarboxylic acid IUPAC Name: 1-benzyl-3-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylic acid Traditional Name: 1-benzyl-3-(4-methoxyphenyl)sulfonyl-nipecotic acid Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2(CCCN(C2)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2(CCCN(C2)CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H23NO5S/c1-26-17-8-10-18(11-9-17)27(24,25)20(19(22)23)12-5-13-21(15-20)14-16-6-3-2-4-7-16/h2-4,6-11H,5,12-15H2,1H3,(H,22,23)